D-苏氨酸甲酯盐酸盐 | 60538-15-0

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 苏氨酸类衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: D-苏氨酸甲酯盐酸盐
• 英文名称: (2R,3S)-2-amino-3-hydroxy-butyric acid methyl ester hydrochloride
• 英文别名: D-threonine methyl ester hydrochloride；methyl (2R,3S)-2-amino-3-hydroxybutanoate hydrochloride；methyl D-threoninate hydrochloride；(2R,3S)-threonine methyl ester hydrochloride；D-Thr-OMe*HCl；(2R,3S)-Methyl 2-amino-3-hydroxybutanoate hydrochloride；methyl (2R,3S)-2-amino-3-hydroxybutanoate;hydrochloride
• CAS: 60538-15-0
• 化学式: C₅H₁₁NO₃*ClH
• 分子量: 169.608
• InChiKey: OZSJLLVVZFTDEY-RFKZQXLXSA-N

物化性质

• 熔点：
  159-162℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.71
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: H-D-Thr-OMe HCl
Synonyms: D-Threonine methyl ester, HCl

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: H-D-Thr-OMe HCl
CAS number: 60538-15-0

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H11NO3.ClH
Molecular weight: 169.6

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  D-苏氨酸甲酯盐酸盐 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到methyl 2-amino-3-chlorobutanoate hydrochloride
  参考文献：
  名称：

  Tendler, Saul J. B.; Threadgill, Michael D.; Tisdale, Michael J., Journal of the Chemical Society. Perkin transactions I, 1987, p. 2617 - 2624

  摘要：

  DOI：
• 作为产物：
  描述：

  D-threonine 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 D-苏氨酸甲酯盐酸盐
  参考文献：
  名称：

  TACE INHIBITORS

  摘要：

  一种具有以下式1的化合物，其中R1、R2、R3、R4、R5、R6和Q的定义如上所述，在治疗关节炎、癌症和其他涉及重组蛋白酶素（如TNF）异常产生/释放的疾病，以及其他以基质金属蛋白酶酶活性为特征的疾病中有用。此外，本发明的化合物可与标准非甾体类抗炎药（NSAID）、COX-2抑制剂和镇痛药联合治疗，也可与顺铂、多柔比星、顺铂、依托泊苷、紫杉醇、多西他素等细胞毒药物联合使用，用于癌症治疗。

  公开号：

  US20030181441A1

文献信息

• LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF
  申请人：YEDA RESEARCH AND DEVELOPMENT CO. LTD.

  公开号：US20160002269A1

  公开（公告）日：2016-01-07

  The present invention is directed to multinuclear lanthanides chiral clusters, based on phenyl-oxazoline-amide (POxA) ligands, and to methods of use thereof. The chiral clusters of this invention are highly fluorescent with high stability.

  本发明涉及基于苯基-噁唑啉酰胺（POxA）配体的多核镧系手性簇以及其使用方法。本发明的手性簇具有高荧光性能和高稳定性。
• Synthesis of the Siderophore Coelichelin and Its Utility as a Probe in the Study of Bacterial Metal Sensing and Response
  作者：Jade C. Williams、Jessica R. Sheldon、Hunter D. Imlay、Brendan F. Dutter、Matthew M. Draelos、Eric P. Skaar、Gary A. Sulikowski

  DOI：10.1021/acs.orglett.8b03857

  日期：2019.2.1

  A convergent total synthesis of the siderophore coelichelin is described. The synthetic route also provided access to acetyl coelichelin and other congeners of the parent siderophore. The synthetic products were evaluated for their ability to bind ferric iron and promote growth of a siderophore-deficient strain of the Gram-negative bacterium Pseudomonas aeruginosa under iron restriction conditions

  描述了铁载体腔鞘磷脂的聚合全合成。该合成路线还提供了获得乙酰腔鞘磷脂和母体铁载体的其他同系物的途径。评估了合成产品在铁限制条件下结合三价铁和促进革兰氏阴性细菌铜绿假单胞菌铁载体缺陷菌株生长的能力。这些研究的结果表明腔鞘磷脂和几种衍生物可作为铜绿假单胞菌的三价铁递送载体。
• Structure Elucidation of the Peptide Antibiotics Herbicolin A and B
  作者：Mitat Aydin、Norbert Lucht、Wilfried A. König、Rudolf Lupp、Günther Jung、Günther Winkelmann

  DOI：10.1002/jlac.198519851117

  日期：1985.11.12

  The structures of the amphiphilic peptide antibiotics herbicolin A and B were determined by application of physical methods, chemical degradation, and partial syntheses. Herbicolin B is a lipodepsinonapeptide with the sequence DH-Abu-L-Thr-D-aThr-D-Leu-Gly-D-Gln-Gly-N-Me-L-aThr-L-Arg (DH-Abu = 2,3-dehydro-α-aminobutyric acid). The C-terminal Arg residue forms a lactone ring with the hydroxy group of

  通过应用物理方法，化学降解和部分合成，确定了两亲性肽类抗生素草本植物A和B的结构。Herbicolin B是一种具有序列DH-Abu-L-Thr-D-aThr-D-Leu-Gly-D-Gln-Gly- N -Me-L-aThr-L-Arg（DH-Abu = 2， 3-脱氢-α-氨基丁酸）。C末端的Arg残基与L-Thr的羟基形成内酯环，而N末端被（R）-3-羟基十四烷酸残基酰化。草本植物素A的主要成分与草本植物素B的不同之处在于，其他的D-葡萄糖部分以1-α-糖苷键与3-羟基十四烷酸残基连接。因此，草药草素A构成了迄今已知的第一种糖脂去氧核糖肽抗生素。
• [EN] NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE TRITERPÈNE EN TANT QU'INHIBITEURS DU VIH
  申请人：HETERO LABS LTD

  公开号：WO2020165741A1

  公开（公告）日：2020-08-20

  The present invention relates to novel triterpene derivatives of formula (I); and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, and ring are as defined herein. The invention also relates to novel triterpene derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及公式（I）的新型三萜衍生物；及其药学上可接受的盐，其中R1、R2、R3、R4和环如本文所定义。该发明还涉及新型三萜衍生物、相关化合物和药物组合物，用于治疗病毒性疾病，特别是HIV介导的疾病。
• Hydrogen‐Borrowing Alkylation of 1,2‐Amino Alcohols in the Synthesis of Enantioenriched γ‐Aminobutyric Acids
  作者：Christopher J. J. Hall、William R. F. Goundry、Timothy J. Donohoe

  DOI：10.1002/anie.202100922

  日期：2021.3.22

  For the first time we have been able to employ enantiopure 1,2‐amino alcohols derived from abundant amino acids in C−C bond‐forming hydrogen‐borrowing alkylation reactions. These reactions are facilitated by the use of the aryl ketone Ph*COMe. Racemisation of the amine stereocentre during alkylation can be prevented by the use of sub‐stoichiometric base and protection of the nitrogen with a sterically

  我们首次能够在 C-C 键形成借氢烷基化反应中使用源自丰富氨基酸的对映体纯 1,2-氨基醇。使用芳基酮 Ph*COMe 可以促进这些反应。通过使用亚化学计量的碱并用位阻三苯甲烷（三苯甲基）或苄基保护氮，可以防止烷基化过程中胺立构中心的外消旋化。 Ph* 和三苯甲基在一锅中即可轻松裂解，得到 γ-氨基丁酸 (GABA) 盐酸盐产品，无需进一步纯化。这两个步骤可以依次进行，无需分离借氢中间体，从而无需柱色谱法。